[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoate CAS Name: 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate Traditional Name: 4-[(2-methoxyphenyl)-methyl-sulfamoyl]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N2O6S/c1-24(20-9-5-6-10-21(20)30-2)32(28,29)19-13-11-18(12-14-19)23(27)31-17-22(26)25-15-7-3-4-8-16-25/h5-6,9-14H,3-4,7-8,15-17H2,1-2H3